6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine

C17H20N6O — CID 96563243

IUPAC6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1ccc(CCCO[C@@H]2CCN(c3ccc4nnnn4n3)C2)cc1
InChIInChI=1S/C17H20N6O/c1-2-5-14(6-3-1)7-4-12-24-15-10-11-22(13-15)17-9-8-16-18-20-21-23(16)19-17/h1-3,5-6,8-9,15H,4,7,10-13H2/t15-/m1/s1
InChIKeyWBUKYQLHDDOISW-OAHLLOKOSA-N
MW324.39 g/mol
LogP1.75
Rot. Bonds6

About 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine

6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 96563243) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID96563243
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1ccc(CCCO[C@@H]2CCN(c3ccc4nnnn4n3)C2)cc1
InChIInChI=1S/C17H20N6O/c1-2-5-14(6-3-1)7-4-12-24-15-10-11-22(13-15)17-9-8-16-18-20-21-23(16)19-17/h1-3,5-6,8-9,15H,4,7,10-13H2/t15-/m1/s1
InChIKeyWBUKYQLHDDOISW-OAHLLOKOSA-N
XLogP1.75
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(3-phenylpropoxy)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133418949
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765
7,8-dimethyl-6-[3-(3-phenylpropoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 154863600
2-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]acetamide
CID 96558813
(3R)-1-ethylsulfonyl-3-(3-phenylpropoxy)pyrrolidine
CID 96563395
4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71975881
4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide
CID 119152144
5-chloro-4-[[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methyl]thiadiazole
CID 96558853
2-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977041

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 96563243) is 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine is c1ccc(CCCO[C@@H]2CCN(c3ccc4nnnn4n3)C2)cc1.
What is the InChIKey of 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is WBUKYQLHDDOISW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N6O/c1-2-5-14(6-3-1)7-4-12-24-15-10-11-22(13-15)17-9-8-16-18-20-21-23(16)19-17/h1-3,5-6,8-9,15H,4,7,10-13H2/t15-/m1/s1.
What are the key properties of 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 324.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 96563243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).